SCHEMBL9686670

SCHEMBL9686670

COC(=N)Oc1nc(C)cc(OC)n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
HIF1A Q16665 2/20 0.41
EDNRB P24530 1/20 0.39
EDNRA P25101 1/20 0.39
ALDH1A1 P00352 7/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP1A2 P05177 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 2/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7008162 0.79 EDNRB (0.48) SMN1; SMN2HIF1AEDNRBEDNRAALDH1A1
SCHEMBL7013058 0.77 LMNA (0.50) SMN1; SMN2HIF1AEDNRBEDNRAALDH1A1
SCHEMBL423189 0.77 LMNA (0.52) SMN1; SMN2HIF1AEDNRBEDNRAALDH1A1
SCHEMBL10435627 0.76 ALDH1A1 (0.53) SMN1; SMN2HIF1AEDNRBEDNRAALDH1A1
SCHEMBL7009598 0.72 ALDH1A1 (0.46) SMN1; SMN2HIF1AEDNRBEDNRAALDH1A1
SCHEMBL16404828 0.72 SMN1; SMN2 (0.46) SMN1; SMN2HIF1AEDNRBEDNRAALDH1A1
SCHEMBL9542988 0.70 SMN1; SMN2 (0.51) SMN1; SMN2EDNRBEDNRAALDH1A1HTT
Propane SCHEMBL10922188 0.70 LMNA (0.42) SMN1; SMN2HIF1AEDNRBEDNRAALDH1A1
SCHEMBL10387994 0.69 EDNRB (0.51) SMN1; SMN2HIF1AEDNRBEDNRAALDH1A1
SCHEMBL9739732 0.69 CYP1A2 (0.50) SMN1; SMN2HIF1AALDH1A1HTTLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0484750-A1 Substituted sulfonylaminotriazolylpyrimidines BAYER AG (DE) 1992-05-13 EP disclosed